SCHEMBL457541

SCHEMBL457541

O=C(Nc1cc(-c2ccc(O)cc2)cc2[nH]ncc12)c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.66
PIM1 P11309 6/20 0.66
GSK3B P49841 6/20 0.66
PIK3CG P48736 6/20 0.66
PIK3CA P42336 6/20 0.60
PIK3CB P42338 5/20 0.60
JAK2 O60674 2/20 0.55
JAK1 P23458 2/20 0.55
TYK2 P29597 2/20 0.55
JAK3 P52333 2/20 0.55
HDAC1 Q13547 1/20 0.52
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KCNMA1 Q12791 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL456454 0.89 PIK3CD (0.67) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL1431439 0.80 PIK3CD (0.69) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL458562 0.79 PIK3CD (1.00) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL470157 0.79 PIK3CD (0.58) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL456982 0.77 GSK3B (0.61) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL1771698 0.77 PIK3CD (0.72) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL458619 0.76 PIK3CD (0.74) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL1119958 0.75 GSK3B (1.00) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL458761 0.75 PIK3CD (0.61) PIK3CDPIM1GSK3BPIK3CGPIK3CA
SCHEMBL1120043 0.72 PIK3CD (0.89) PIK3CDPIM1GSK3BPIK3CGPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP claimed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US claimed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US claimed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP claimed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO claimed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIM1 1258/4885GSK3B 389/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 PIK3CD 111/4885PIM1 170/4885GSK3B 234/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.